(E)-3-(2-ethoxy-4-methoxyphenyl)prop-2-en-1-amine

C12H17NO2 — CID 117295921

IUPAC(E)-3-(2-ethoxy-4-methoxyphenyl)prop-2-en-1-amine
SMILESCCOc1cc(OC)ccc1/C=C/CN
InChIInChI=1S/C12H17NO2/c1-3-15-12-9-11(14-2)7-6-10(12)5-4-8-13/h4-7,9H,3,8,13H2,1-2H3/b5-4+
InChIKeyUSHNUCYXYCOEJP-SNAWJCMRSA-N
MW207.27 g/mol
LogP2.07
Rot. Bonds5

About (E)-3-(2-ethoxy-4-methoxyphenyl)prop-2-en-1-amine

(E)-3-(2-ethoxy-4-methoxyphenyl)prop-2-en-1-amine (PubChem CID 117295921) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (E)-3-(2-ethoxy-4-methoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2-ethoxy-4-methoxyphenyl)prop-2-en-1-amine
PubChem CID117295921
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(E)-3-(2-ethoxy-4-methoxyphenyl)prop-2-en-1-amine
SMILESCCOc1cc(OC)ccc1/C=C/CN
InChIInChI=1S/C12H17NO2/c1-3-15-12-9-11(14-2)7-6-10(12)5-4-8-13/h4-7,9H,3,8,13H2,1-2H3/b5-4+
InChIKeyUSHNUCYXYCOEJP-SNAWJCMRSA-N
XLogP2.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 70021024
2-(3-aminoprop-1-enyl)-4-methoxyaniline
CID 169463650
3-(4-ethoxy-2-fluorophenyl)prop-2-en-1-amine
CID 169463810
octyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 175047565
1-[(E)-but-1-enyl]-4-methoxy-2-methylbenzene
CID 145499218
3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol
CID 139828173
[(E)-3-(2,4-dimethoxyphenyl)prop-2-enyl] formate
CID 173173470
(E)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 117333674
2-(ethoxymethoxy)-4-methoxybenzaldehyde
CID 65369635
3-(2-ethoxy-4-methoxyphenyl)-1-(2-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826570
(E)-2-amino-5-(2,4-dimethoxyphenyl)pent-4-enoic acid
CID 112518794
2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene
CID 118066872

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethoxy-4-methoxyphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(2-ethoxy-4-methoxyphenyl)prop-2-en-1-amine (CID 117295921) is (E)-3-(2-ethoxy-4-methoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(2-ethoxy-4-methoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(2-ethoxy-4-methoxyphenyl)prop-2-en-1-amine is CCOc1cc(OC)ccc1/C=C/CN.
What is the InChIKey of (E)-3-(2-ethoxy-4-methoxyphenyl)prop-2-en-1-amine?
The InChIKey is USHNUCYXYCOEJP-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-15-12-9-11(14-2)7-6-10(12)5-4-8-13/h4-7,9H,3,8,13H2,1-2H3/b5-4+.
What are the key properties of (E)-3-(2-ethoxy-4-methoxyphenyl)prop-2-en-1-amine?
(E)-3-(2-ethoxy-4-methoxyphenyl)prop-2-en-1-amine has a molecular weight of 207.27 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethoxy-4-methoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117295921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).